小分子和化合物库

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9 项目

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  1. 2,6-双[4-二苯胺基苯基]-9,10-蒽醌
    CAS号 : 1640978-33-1        Compound CID : 102220848
    分子式: C50H34N2O2        分子量: 694.82
    IUPAC Name: 2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-dione
    SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=O)C6=C(C5=O)C=CC(=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9
    InChIKey: NFOXDINRRDSYIP-UHFFFAOYSA-N
    InChI: InChI=1S/C50H34N2O2/c53-49-46-32-26-38(36-23-29-44(30-24-36)52(41-17-9-3-10-18-41)42-19-11-4-12-20-42)34-48(46)50(54)45-31-25-37(33-47(45)49)35-21-27-43(28-22-35)51(39-13-5-1-6-14-39)40-15-7-2-8-16-40/h1-34H
  2. CAS号 : 85-01-8       
    分子式: C14H10        分子量: 178.23
    IUPAC Name: phenanthrene
    SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
    InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
  3. 苯甲酰胺
    CAS号 : 55-21-0        Compound CID : 2331
    分子式: C7H7NO        分子量: 121.13
    IUPAC Name: benzamide
    SMILES: C1=CC=C(C=C1)C(=O)N
    InChIKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
    InChI: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
  4. 二苯甲酮
    CAS号 : 119-61-9        Compound CID : 3102
    分子式: C13H10O        分子量: 182.22
    IUPAC Name: diphenylmethanone
    SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
    InChIKey: RWCCWEUUXYIKHB-UHFFFAOYSA-N
    InChI: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
  5. 二苯并{[f,f']-4,4',7,7'-四苯基}二茚[1,2,3-cd:1',2',3'-lm]苝
    CAS号 : 175606-05-0        Compound CID : 16149343
    分子式: C64H36       
    IUPAC Name: 7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
    SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C5C=CC6=C7C=CC8=C9C(=C1C=CC=CC1=C(C9=C1C8=C7C(=C3C6=C5C(=C24)C=C3)C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
    InChIKey: WPPDXAHGCGPUPK-UHFFFAOYSA-N
    InChI: InChI=1S/C64H36/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40/h1-36H
  6. 苯并 [ b ] 蒽
    CAS号 : 92-24-0        Compound CID : 7080
    分子式: C18H12        分子量: 228.29
    IUPAC Name: tetracene
    SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1
    InChIKey: IFLREYGFSNHWGE-UHFFFAOYSA-N
    InChI: InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
  7. 苯甲酸
    CAS号 : 65-85-0        Compound CID : 243
    分子式: C7H6O2        分子量: 122.12
    IUPAC Name: benzoic acid
    SMILES: C1=CC=C(C=C1)C(=O)O
    InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
  8. 邻苯二酚
    CAS号 : 120-80-9        Compound CID : 289
    分子式: C6H6O2        分子量: 110.11
    IUPAC Name: benzene-1,2-diol
    SMILES: C1=CC=C(C(=C1)O)O
    InChIKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
    InChI: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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